(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide

C9H16N4O — CID 143678400

IUPAC(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide
SMILES[H]/N=C(N)/C(=C\NC1CCCC1)C(N)=O
InChIInChI=1S/C9H16N4O/c10-8(11)7(9(12)14)5-13-6-3-1-2-4-6/h5-6,13H,1-4H2,(H3,10,11)(H2,12,14)/b7-5+
InChIKeyKVEFXOQEYGBBFE-FNORWQNLSA-N
MW196.25 g/mol
LogP-0.18
Rot. Bonds4

About (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide

(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide (PubChem CID 143678400) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide
PubChem CID143678400
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide
SMILES[H]/N=C(N)/C(=C\NC1CCCC1)C(N)=O
InChIInChI=1S/C9H16N4O/c10-8(11)7(9(12)14)5-13-6-3-1-2-4-6/h5-6,13H,1-4H2,(H3,10,11)(H2,12,14)/b7-5+
InChIKeyKVEFXOQEYGBBFE-FNORWQNLSA-N
XLogP-0.18
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-carbamimidoyl-3-[[(3S,4R)-4-cyanooxan-3-yl]amino]prop-2-enamide
CID 165110993
(E)-2-carbamimidoyl-3-[[(4S)-4-cyanooxan-3-yl]amino]prop-2-enamide
CID 164542830
(E)-2-formyl-3-(oxan-3-ylamino)prop-2-enimidamide
CID 164542650
(E)-2-formyl-3-(oxan-3-ylamino)prop-2-enimidamide;methanamine
CID 164542649
acetylene;(E)-2-[N'-(4-chlorophenyl)carbamimidoyl]-3-(cyclohexylamino)prop-2-enamide;formonitrile
CID 144556315
4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide
CID 163457470
ethyl (E)-2-carbamimidoyl-3-(cyclopropylmethylamino)prop-2-enoate
CID 138515478
2-cyclopropyl-2-oxoethanimidamide;hydrochloride
CID 55283804
methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride
CID 161104805
(Z)-2-carbonimidiodidoyl-3-(oxan-2-ylamino)prop-2-enoic acid
CID 136932689
N-[(E)-2-methylsulfonylprop-1-enyl]cyclohexanamine
CID 11171978
(E)-3-anilino-2-carbamimidoylprop-2-enoic acid
CID 136600263

Frequently Asked Questions

What is the IUPAC name of (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide?
The IUPAC name of (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide (CID 143678400) is (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide.
What is the SMILES notation for (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide?
The canonical SMILES for (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide is [H]/N=C(N)/C(=C\NC1CCCC1)C(N)=O.
What is the InChIKey of (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide?
The InChIKey is KVEFXOQEYGBBFE-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16N4O/c10-8(11)7(9(12)14)5-13-6-3-1-2-4-6/h5-6,13H,1-4H2,(H3,10,11)(H2,12,14)/b7-5+.
What are the key properties of (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide?
(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide is sourced from PubChem (CID 143678400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).