(4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol

C8H12N2O — CID 163477952

IUPAC(4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol
SMILESNCN/C=C1\C=CC(O)=CC1
InChIInChI=1S/C8H12N2O/c9-6-10-5-7-1-3-8(11)4-2-7/h1,3-5,10-11H,2,6,9H2/b7-5+
InChIKeyCCBIZYHZTZZOQW-FNORWQNLSA-N
MW152.20 g/mol
LogP0.78
Rot. Bonds2

About (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol

(4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol (PubChem CID 163477952) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol
PubChem CID163477952
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol
SMILESNCN/C=C1\C=CC(O)=CC1
InChIInChI=1S/C8H12N2O/c9-6-10-5-7-1-3-8(11)4-2-7/h1,3-5,10-11H,2,6,9H2/b7-5+
InChIKeyCCBIZYHZTZZOQW-FNORWQNLSA-N
XLogP0.78
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2H-2-benzazepin-6-ol
CID 18004599
5-Hydroxycyclohepta[1,2-c]pyridine
CID 21276159
2H-2-benzazepin-4-ol
CID 87766208
1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol
CID 90703707
2H-2-benzazepin-5-ol
CID 154081445
4-(Aminomethylidene)cyclohexa-1,5-dien-1-ol
CID 163548670
2H-cyclohepta[c]pyridin-4-ol
CID 171853945
(1E,3E,6Z)-1-amino-1-(methylamino)-5-methylideneocta-1,3,6-trien-3-ol
CID 143686561
(3Z,4Z)-3-(aminomethylidene)-4-propylidenecyclohexa-1,5-dien-1-ol
CID 144487599

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol?
The IUPAC name of (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol (CID 163477952) is (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol is NCN/C=C1\C=CC(O)=CC1.
What is the InChIKey of (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol?
The InChIKey is CCBIZYHZTZZOQW-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12N2O/c9-6-10-5-7-1-3-8(11)4-2-7/h1,3-5,10-11H,2,6,9H2/b7-5+.
What are the key properties of (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol?
(4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol has a molecular weight of 152.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(aminomethylamino)methylidene]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 163477952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).