N-(cyclohexa-1,5-dien-1-ylmethyl)formamide

C8H11NO — CID 89097608

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)formamide
SMILESO=CNCC1=CCCC=C1
InChIInChI=1S/C8H11NO/c10-7-9-6-8-4-2-1-3-5-8/h2,4-5,7H,1,3,6H2,(H,9,10)
InChIKeyDSPRACKEEABOLH-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds3

About N-(cyclohexa-1,5-dien-1-ylmethyl)formamide

N-(cyclohexa-1,5-dien-1-ylmethyl)formamide (PubChem CID 89097608) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)formamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)formamide
PubChem CID89097608
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)formamide
SMILESO=CNCC1=CCCC=C1
InChIInChI=1S/C8H11NO/c10-7-9-6-8-4-2-1-3-5-8/h2,4-5,7H,1,3,6H2,(H,9,10)
InChIKeyDSPRACKEEABOLH-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)formamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)formamide (CID 89097608) is N-(cyclohexa-1,5-dien-1-ylmethyl)formamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)formamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)formamide is O=CNCC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)formamide?
The InChIKey is DSPRACKEEABOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-7-9-6-8-4-2-1-3-5-8/h2,4-5,7H,1,3,6H2,(H,9,10).
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)formamide?
N-(cyclohexa-1,5-dien-1-ylmethyl)formamide has a molecular weight of 137.18 g/mol, XLogP of 1.01, 3 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-ylmethyl)formamide is sourced from PubChem (CID 89097608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).