(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol

C13H21NO — CID 144511721

IUPAC(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol
SMILESC=C(O)/C=C1\C=C(NCCCC)CCC1
InChIInChI=1S/C13H21NO/c1-3-4-8-14-13-7-5-6-12(10-13)9-11(2)15/h9-10,14-15H,2-8H2,1H3/b12-9-
InChIKeyTZAAGFPUXBNGJU-XFXZXTDPSA-N
MW207.32 g/mol
LogP3.44
Rot. Bonds5

About (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol

(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol (PubChem CID 144511721) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol.

Molecular Properties

Compound Name(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol
PubChem CID144511721
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol
SMILESC=C(O)/C=C1\C=C(NCCCC)CCC1
InChIInChI=1S/C13H21NO/c1-3-4-8-14-13-7-5-6-12(10-13)9-11(2)15/h9-10,14-15H,2-8H2,1H3/b12-9-
InChIKeyTZAAGFPUXBNGJU-XFXZXTDPSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol?
The IUPAC name of (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol (CID 144511721) is (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol.
What is the SMILES notation for (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol?
The canonical SMILES for (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol is C=C(O)/C=C1\C=C(NCCCC)CCC1.
What is the InChIKey of (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol?
The InChIKey is TZAAGFPUXBNGJU-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-8-14-13-7-5-6-12(10-13)9-11(2)15/h9-10,14-15H,2-8H2,1H3/b12-9-.
What are the key properties of (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol?
(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol has a molecular weight of 207.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol is sourced from PubChem (CID 144511721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).