1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide

C11H17N3O — CID 106416507

IUPAC1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1cccc1CNC(=O)C1(CN)CC1
InChIInChI=1S/C11H17N3O/c1-14-6-2-3-9(14)7-13-10(15)11(8-12)4-5-11/h2-3,6H,4-5,7-8,12H2,1H3,(H,13,15)
InChIKeyKVZIOLDJDPBGPQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.38
Rot. Bonds4

About 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 106416507) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID106416507
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1cccc1CNC(=O)C1(CN)CC1
InChIInChI=1S/C11H17N3O/c1-14-6-2-3-9(14)7-13-10(15)11(8-12)4-5-11/h2-3,6H,4-5,7-8,12H2,1H3,(H,13,15)
InChIKeyKVZIOLDJDPBGPQ-UHFFFAOYSA-N
XLogP0.38
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
CID 106416698
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
CID 106416741
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
CID 106390779
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
CID 106390797
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide (CID 106416507) is 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide is Cn1cccc1CNC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is KVZIOLDJDPBGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-6-2-3-9(14)7-13-10(15)11(8-12)4-5-11/h2-3,6H,4-5,7-8,12H2,1H3,(H,13,15).
What are the key properties of 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 106416507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).