(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C16H25N3O — CID 141401424

IUPAC(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1c[nH]c(C)c1C(=O)N1CCCC1CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-10-17-13(2)15(12)16(20)19-9-5-6-14(19)11-18-7-3-4-8-18/h10,14,17H,3-9,11H2,1-2H3
InChIKeyBHYAEPVDUCKBQI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.33
Rot. Bonds3

About (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 141401424) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID141401424
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1c[nH]c(C)c1C(=O)N1CCCC1CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-10-17-13(2)15(12)16(20)19-9-5-6-14(19)11-18-7-3-4-8-18/h10,14,17H,3-9,11H2,1-2H3
InChIKeyBHYAEPVDUCKBQI-UHFFFAOYSA-N
XLogP2.33
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
CID 58697854
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
5-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 126439587
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 96573203
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
(4-butylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965048

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 141401424) is (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is Cc1c[nH]c(C)c1C(=O)N1CCCC1CN1CCCC1.
What is the InChIKey of (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BHYAEPVDUCKBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-10-17-13(2)15(12)16(20)19-9-5-6-14(19)11-18-7-3-4-8-18/h10,14,17H,3-9,11H2,1-2H3.
What are the key properties of (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 141401424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).