(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide

C15H16N4O3 — CID 108816475

IUPAC(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C/NC1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O3/c16-9-11(10-17-12-5-1-2-6-12)15(20)18-13-7-3-4-8-14(13)19(21)22/h3-4,7-8,10,12,17H,1-2,5-6H2,(H,18,20)/b11-10-
InChIKeyNFBJJUGHAHISLH-KHPPLWFESA-N
MW300.32 g/mol
LogP2.47
Rot. Bonds5

About (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide

(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide (PubChem CID 108816475) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide
PubChem CID108816475
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C/NC1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O3/c16-9-11(10-17-12-5-1-2-6-12)15(20)18-13-7-3-4-8-14(13)19(21)22/h3-4,7-8,10,12,17H,1-2,5-6H2,(H,18,20)/b11-10-
InChIKeyNFBJJUGHAHISLH-KHPPLWFESA-N
XLogP2.47
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide
CID 108824294
(Z)-2-cyano-3-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108823015
(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(cyclododecylamino)prop-2-enamide
CID 108853734
(Z)-2-cyano-3-(2-methylpiperidin-1-yl)-N-(2-nitrophenyl)prop-2-enamide
CID 108816594
(Z)-2-cyano-N-(2-nitrophenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108816487
methyl 2-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]benzoate
CID 108851634
(Z)-2-cyano-3-(4-iodoanilino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816701
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
CID 108816774
(Z)-2-cyano-3-(3-formamidopropylamino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816647
(Z)-2-cyano-3-[(6-methyl-3-pyridinyl)amino]-N-(2-nitrophenyl)prop-2-enamide
CID 108816772
(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide
CID 108816492
(Z)-2-cyano-3-(3-methylanilino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816537

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide (CID 108816475) is (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide is N#C/C(=C/NC1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide?
The InChIKey is NFBJJUGHAHISLH-KHPPLWFESA-N. The full InChI is InChI=1S/C15H16N4O3/c16-9-11(10-17-12-5-1-2-6-12)15(20)18-13-7-3-4-8-14(13)19(21)22/h3-4,7-8,10,12,17H,1-2,5-6H2,(H,18,20)/b11-10-.
What are the key properties of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide?
(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide has a molecular weight of 300.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 108816475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).