butylamino(cyclopenta-2,4-dien-1-ylidene)methanol

C10H15NO — CID 135031705

IUPACbutylamino(cyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCCNC(O)=C1C=CC=C1
InChIInChI=1S/C10H15NO/c1-2-3-8-11-10(12)9-6-4-5-7-9/h4-7,11-12H,2-3,8H2,1H3
InChIKeyVHPJRPPSSGIZBL-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.27
Rot. Bonds4

About butylamino(cyclopenta-2,4-dien-1-ylidene)methanol

butylamino(cyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 135031705) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is butylamino(cyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Namebutylamino(cyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID135031705
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Namebutylamino(cyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCCNC(O)=C1C=CC=C1
InChIInChI=1S/C10H15NO/c1-2-3-8-11-10(12)9-6-4-5-7-9/h4-7,11-12H,2-3,8H2,1H3
InChIKeyVHPJRPPSSGIZBL-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.27
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 butylamino(cyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of butylamino(cyclopenta-2,4-dien-1-ylidene)methanol (CID 135031705) is butylamino(cyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for butylamino(cyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for butylamino(cyclopenta-2,4-dien-1-ylidene)methanol is CCCCNC(O)=C1C=CC=C1.
What is the InChIKey of butylamino(cyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is VHPJRPPSSGIZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-8-11-10(12)9-6-4-5-7-9/h4-7,11-12H,2-3,8H2,1H3.
What are the key properties of butylamino(cyclopenta-2,4-dien-1-ylidene)methanol?
butylamino(cyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 165.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylamino(cyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 135031705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).