N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide

C8H12N2O — CID 89240366

IUPACN-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide
SMILESNCC1C=C(NC=O)C=CC1
InChIInChI=1S/C8H12N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1,3-4,6-7H,2,5,9H2,(H,10,11)
InChIKeyUAGKIECJCCKOEL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.15
Rot. Bonds3

About N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide

N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide (PubChem CID 89240366) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide
PubChem CID89240366
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide
SMILESNCC1C=C(NC=O)C=CC1
InChIInChI=1S/C8H12N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1,3-4,6-7H,2,5,9H2,(H,10,11)
InChIKeyUAGKIECJCCKOEL-UHFFFAOYSA-N
XLogP0.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide?
The IUPAC name of N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide (CID 89240366) is N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide.
What is the SMILES notation for N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide?
The canonical SMILES for N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide is NCC1C=C(NC=O)C=CC1.
What is the InChIKey of N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide?
The InChIKey is UAGKIECJCCKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1,3-4,6-7H,2,5,9H2,(H,10,11).
What are the key properties of N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide?
N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide has a molecular weight of 152.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide is sourced from PubChem (CID 89240366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).