N-(cyanomethyl)pyrrolidine-3-carboxamide

C7H11N3O — CID 63005211

IUPACN-(cyanomethyl)pyrrolidine-3-carboxamide
SMILESN#CCNC(=O)C1CCNC1
InChIInChI=1S/C7H11N3O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1,3-5H2,(H,10,11)
InChIKeyCCUYCZUUCHUMAC-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.76
Rot. Bonds2

About N-(cyanomethyl)pyrrolidine-3-carboxamide

N-(cyanomethyl)pyrrolidine-3-carboxamide (PubChem CID 63005211) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(cyanomethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)pyrrolidine-3-carboxamide
PubChem CID63005211
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-(cyanomethyl)pyrrolidine-3-carboxamide
SMILESN#CCNC(=O)C1CCNC1
InChIInChI=1S/C7H11N3O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1,3-5H2,(H,10,11)
InChIKeyCCUYCZUUCHUMAC-UHFFFAOYSA-N
XLogP-0.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-(2-methoxypropyl)pyrrolidine-3-carboxamide
CID 102694813
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
N-[(2-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 115738405
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186798
(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)pyrrolidine-3-carboxamide (CID 63005211) is N-(cyanomethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)pyrrolidine-3-carboxamide is N#CCNC(=O)C1CCNC1.
What is the InChIKey of N-(cyanomethyl)pyrrolidine-3-carboxamide?
The InChIKey is CCUYCZUUCHUMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1,3-5H2,(H,10,11).
What are the key properties of N-(cyanomethyl)pyrrolidine-3-carboxamide?
N-(cyanomethyl)pyrrolidine-3-carboxamide has a molecular weight of 153.18 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).