4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

C13H23N3O2 — CID 103810796

IUPAC4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCC(CN)CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-16-7-6-11(13(16)18)15-12(17)10-4-2-9(8-14)3-5-10/h9-11H,2-8,14H2,1H3,(H,15,17)
InChIKeyWJPNRBHZWPFJTN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.10
Rot. Bonds3

About 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 103810796) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID103810796
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCC(CN)CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-16-7-6-11(13(16)18)15-12(17)10-4-2-9(8-14)3-5-10/h9-11H,2-8,14H2,1H3,(H,15,17)
InChIKeyWJPNRBHZWPFJTN-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 103810796) is 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide is CN1CCC(NC(=O)C2CCC(CN)CC2)C1=O.
What is the InChIKey of 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is WJPNRBHZWPFJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-16-7-6-11(13(16)18)15-12(17)10-4-2-9(8-14)3-5-10/h9-11H,2-8,14H2,1H3,(H,15,17).
What are the key properties of 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103810796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).