[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone

C15H21N3O2 — CID 131684230

IUPAC[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC2COCC(C1)N2CC1CC1
InChIInChI=1S/C15H21N3O2/c19-15(12-3-4-16-5-12)17-7-13-9-20-10-14(8-17)18(13)6-11-1-2-11/h3-5,11,13-14,16H,1-2,6-10H2
InChIKeyYJOQLPCECQOXAB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.95
Rot. Bonds3

About [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone

[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 131684230) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID131684230
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC2COCC(C1)N2CC1CC1
InChIInChI=1S/C15H21N3O2/c19-15(12-3-4-16-5-12)17-7-13-9-20-10-14(8-17)18(13)6-11-1-2-11/h3-5,11,13-14,16H,1-2,6-10H2
InChIKeyYJOQLPCECQOXAB-UHFFFAOYSA-N
XLogP0.95
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,5R)-9-[(2,4-difluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1H-pyrrol-3-yl)methanone
CID 135115206
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942
[(3aR,6aR)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(1H-pyrrol-3-yl)methanone
CID 131688736
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
1H-pyrrol-3-yl-[3-(1,2,4-triazol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 131685379
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide
CID 141205463
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096
[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
CID 97377908
(4S,5S)-4-[cyclopropylmethyl(methyl)amino]-10-methyl-2-(1H-pyrrole-3-carbonyl)-7-oxa-2,10-diazaspiro[4.6]undecan-9-one
CID 131688142
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 70784479

Frequently Asked Questions

What is the IUPAC name of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone (CID 131684230) is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CC2COCC(C1)N2CC1CC1.
What is the InChIKey of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is YJOQLPCECQOXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(12-3-4-16-5-12)17-7-13-9-20-10-14(8-17)18(13)6-11-1-2-11/h3-5,11,13-14,16H,1-2,6-10H2.
What are the key properties of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131684230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).