1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol

C13H16FNO — CID 156538445

IUPAC1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
SMILESC/N=C(\c1cccc(F)c1)C1(O)CCCC1
InChIInChI=1S/C13H16FNO/c1-15-12(13(16)7-2-3-8-13)10-5-4-6-11(14)9-10/h4-6,9,16H,2-3,7-8H2,1H3/b15-12+
InChIKeyOTPQKIUVJHWPTN-NTCAYCPXSA-N
MW221.28 g/mol
LogP2.55
Rot. Bonds2

About 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol

1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol (PubChem CID 156538445) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
PubChem CID156538445
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
SMILESC/N=C(\c1cccc(F)c1)C1(O)CCCC1
InChIInChI=1S/C13H16FNO/c1-15-12(13(16)7-2-3-8-13)10-5-4-6-11(14)9-10/h4-6,9,16H,2-3,7-8H2,1H3/b15-12+
InChIKeyOTPQKIUVJHWPTN-NTCAYCPXSA-N
XLogP2.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol?
The IUPAC name of 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol (CID 156538445) is 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol?
The canonical SMILES for 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol is C/N=C(\c1cccc(F)c1)C1(O)CCCC1.
What is the InChIKey of 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol?
The InChIKey is OTPQKIUVJHWPTN-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15-12(13(16)7-2-3-8-13)10-5-4-6-11(14)9-10/h4-6,9,16H,2-3,7-8H2,1H3/b15-12+.
What are the key properties of 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol?
1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol has a molecular weight of 221.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[C-(3-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol is sourced from PubChem (CID 156538445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).