N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen

C10H15NO — CID 144596584

IUPACN-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen
SMILESC=C(C)C(=O)NC1=CCCC=C1.[H][H]
InChIInChI=1S/C10H13NO.H2/c1-8(2)10(12)11-9-6-4-3-5-7-9;/h4,6-7H,1,3,5H2,2H3,(H,11,12);1H
InChIKeyDJNWRCZORFGRIT-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.16
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen

N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen (PubChem CID 144596584) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen
PubChem CID144596584
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen
SMILESC=C(C)C(=O)NC1=CCCC=C1.[H][H]
InChIInChI=1S/C10H13NO.H2/c1-8(2)10(12)11-9-6-4-3-5-7-9;/h4,6-7H,1,3,5H2,2H3,(H,11,12);1H
InChIKeyDJNWRCZORFGRIT-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl N-cyclohexa-1,5-dien-1-ylcarbamate
CID 145077973
N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen
CID 177135488
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea
CID 142994053
N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide
CID 143768709
2-methyl-N-(4-sulfonylcyclohexa-1,5-dien-1-yl)prop-2-enamide
CID 151535056
N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide
CID 173224347
N-(cyclopropen-1-yl)-2-methylprop-2-enamide
CID 175360575
3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea
CID 163658126
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 144544325
N-ethylcyclohexa-1,5-dien-1-amine
CID 18448807

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen (CID 144596584) is N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen is C=C(C)C(=O)NC1=CCCC=C1.[H][H].
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen?
The InChIKey is DJNWRCZORFGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.H2/c1-8(2)10(12)11-9-6-4-3-5-7-9;/h4,6-7H,1,3,5H2,2H3,(H,11,12);1H.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen?
N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen has a molecular weight of 165.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen is sourced from PubChem (CID 144596584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).