4-(prop-2-enylamino)cyclohexane-1-carboxylic acid

C10H17NO2 — CID 60809402

IUPAC4-(prop-2-enylamino)cyclohexane-1-carboxylic acid
SMILESC=CCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h2,8-9,11H,1,3-7H2,(H,12,13)
InChIKeyHKCZQISPUAHBSF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds4

About 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid

4-(prop-2-enylamino)cyclohexane-1-carboxylic acid (PubChem CID 60809402) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(prop-2-enylamino)cyclohexane-1-carboxylic acid
PubChem CID60809402
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(prop-2-enylamino)cyclohexane-1-carboxylic acid
SMILESC=CCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h2,8-9,11H,1,3-7H2,(H,12,13)
InChIKeyHKCZQISPUAHBSF-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
4-[(1-Prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 122035113
4-Methylaminocyclohexane-1-carboxylic acid
CID 24197306
4-(3,3,3-Trifluoropropylamino)cyclohexane-1-carboxylic acid
CID 64566527
4-(2-Fluoroethylamino)cyclohexane-1-carboxylic acid
CID 80695255
4-(3-Fluoropropylamino)cyclohexane-1-carboxylic acid
CID 81114237
4,4'-Iminodicyclohexanecarboxylic acid
CID 90478385
4-(4,4,4-Trifluorobutylamino)cyclohexane-1-carboxylic acid
CID 113326565
4-(2-Methylpropylamino)cyclohexane-1-carboxylic acid
CID 9899122
4-(Propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 9964276
4-(Butylamino)cyclohexanecarboxylic acid
CID 43833931

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid (CID 60809402) is 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid is C=CCNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HKCZQISPUAHBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h2,8-9,11H,1,3-7H2,(H,12,13).
What are the key properties of 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid?
4-(prop-2-enylamino)cyclohexane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).