N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide

C11H17NO — CID 90997466

IUPACN-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide
SMILESCCC(CC1=CC=CCC1)NC=O
InChIInChI=1S/C11H17NO/c1-2-11(12-9-13)8-10-6-4-3-5-7-10/h3-4,6,9,11H,2,5,7-8H2,1H3,(H,12,13)
InChIKeyDRGBUBPGOWXOQG-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds5

About N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide

N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide (PubChem CID 90997466) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide
PubChem CID90997466
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide
SMILESCCC(CC1=CC=CCC1)NC=O
InChIInChI=1S/C11H17NO/c1-2-11(12-9-13)8-10-6-4-3-5-7-10/h3-4,6,9,11H,2,5,7-8H2,1H3,(H,12,13)
InChIKeyDRGBUBPGOWXOQG-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
CID 57109470
N-(6-methylhept-5-en-2-yl)formamide
CID 3614685
N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide
CID 143293755
N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide
CID 166490284
N-[2-(cyclohexen-1-yl)ethyl]formamide
CID 2780443
N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide
CID 19888920
N-[1-(2-ethylcyclopenta-1,3-dien-1-yl)pentyl]acetamide
CID 53958251
N-(2,6-dihydro-1H-inden-1-yl)formamide
CID 57151321
N-[(Z)-octacos-19-en-11-yl]formamide
CID 87790504
N-[(Z)-hentriacont-22-en-14-yl]formamide
CID 87791171
N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide
CID 88946976
N-[1-(3-methylcyclohexa-1,3,4-trien-1-yl)propan-2-yl]formamide
CID 89357254

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide?
The IUPAC name of N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide (CID 90997466) is N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide.
What is the SMILES notation for N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide?
The canonical SMILES for N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide is CCC(CC1=CC=CCC1)NC=O.
What is the InChIKey of N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide?
The InChIKey is DRGBUBPGOWXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-11(12-9-13)8-10-6-4-3-5-7-10/h3-4,6,9,11H,2,5,7-8H2,1H3,(H,12,13).
What are the key properties of N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide?
N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide has a molecular weight of 179.26 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide is sourced from PubChem (CID 90997466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).