(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone

C17H25N3O — CID 97385696

IUPAC(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESC=CCN1CCCC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C17H25N3O/c1-3-10-20-12-5-7-17(20)8-13-19(14-9-17)16(21)15-6-4-11-18(15)2/h3-4,6,11H,1,5,7-10,12-14H2,2H3
InChIKeyBRAOQRPIPMKIFC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.28
Rot. Bonds3

About (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone

(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 97385696) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID97385696
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESC=CCN1CCCC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C17H25N3O/c1-3-10-20-12-5-7-17(20)8-13-19(14-9-17)16(21)15-6-4-11-18(15)2/h3-4,6,11H,1,5,7-10,12-14H2,2H3
InChIKeyBRAOQRPIPMKIFC-UHFFFAOYSA-N
XLogP2.28
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 97495285
[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97481759
1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131696541
(6-methyl-3-pyridinyl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155823731
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
CID 110197957
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126829415

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 97385696) is (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone is C=CCN1CCCC12CCN(C(=O)c1cccn1C)CC2.
What is the InChIKey of (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is BRAOQRPIPMKIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-10-20-12-5-7-17(20)8-13-19(14-9-17)16(21)15-6-4-11-18(15)2/h3-4,6,11H,1,5,7-10,12-14H2,2H3.
What are the key properties of (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 97385696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).