N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide

C12H17NO — CID 143584516

IUPACN-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide
SMILESC=C/C=C\C1=C(C)CCCC1NC=O
InChIInChI=1S/C12H17NO/c1-3-4-7-11-10(2)6-5-8-12(11)13-9-14/h3-4,7,9,12H,1,5-6,8H2,2H3,(H,13,14)/b7-4-
InChIKeyCGHLEQQADNXYTM-DAXSKMNVSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds4

About N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide

N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide (PubChem CID 143584516) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide.

Molecular Properties

Compound NameN-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide
PubChem CID143584516
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide
SMILESC=C/C=C\C1=C(C)CCCC1NC=O
InChIInChI=1S/C12H17NO/c1-3-4-7-11-10(2)6-5-8-12(11)13-9-14/h3-4,7,9,12H,1,5-6,8H2,2H3,(H,13,14)/b7-4-
InChIKeyCGHLEQQADNXYTM-DAXSKMNVSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]-2-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one
CID 167170644
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143343575
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
CID 64990494
(E)-3-(6-ethenyl-2-methylcyclohexen-1-yl)-2-methylprop-2-enenitrile
CID 167071548
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydro-1H-pyrrole;ethane
CID 145474616
(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
CID 142351999
(5R)-2-methyl-5-prop-1-en-2-ylcyclopentene-1-carbaldehyde
CID 12634576
[3-[(1Z)-buta-1,3-dienyl]-2,4-dimethylcyclopent-3-en-1-yl]methanol
CID 164603543
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
CID 89192695
N-(2-oxothiolan-3-yl)formamide
CID 19374143

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide?
The IUPAC name of N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide (CID 143584516) is N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide.
What is the SMILES notation for N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide?
The canonical SMILES for N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide is C=C/C=C\C1=C(C)CCCC1NC=O.
What is the InChIKey of N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide?
The InChIKey is CGHLEQQADNXYTM-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-7-11-10(2)6-5-8-12(11)13-9-14/h3-4,7,9,12H,1,5-6,8H2,2H3,(H,13,14)/b7-4-.
What are the key properties of N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide?
N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide has a molecular weight of 191.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide is sourced from PubChem (CID 143584516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).