N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide

C8H16N4O — CID 79155330

IUPACN-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)NC(=O)N1CCCC1
InChIInChI=1S/C8H16N4O/c1-6(7(9)10)11-8(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H3,9,10)(H,11,13)
InChIKeyLDIBXBKGGFCZNF-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.12
Rot. Bonds2

About N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide

N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 79155330) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID79155330
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)NC(=O)N1CCCC1
InChIInChI=1S/C8H16N4O/c1-6(7(9)10)11-8(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H3,9,10)(H,11,13)
InChIKeyLDIBXBKGGFCZNF-UHFFFAOYSA-N
XLogP0.12
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide (CID 79155330) is N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide is [H]/N=C(\N)C(C)NC(=O)N1CCCC1.
What is the InChIKey of N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is LDIBXBKGGFCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(7(9)10)11-8(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H3,9,10)(H,11,13).
What are the key properties of N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide?
N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79155330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).