[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one

C18H27NO — CID 145176263

IUPAC[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one
SMILESC/C=C\c1ccccc1.CCCNC1CCC(=O)CC1
InChIInChI=1S/C9H17NO.C9H10/c1-2-7-10-8-3-5-9(11)6-4-8;1-2-6-9-7-4-3-5-8-9/h8,10H,2-7H2,1H3;2-8H,1H3/b;6-2-
InChIKeyRKBDVYMEQQZVBE-MKSBNHLASA-N
MW273.42 g/mol
LogP4.22
Rot. Bonds4

About [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one

[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one (PubChem CID 145176263) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one.

Molecular Properties

Compound Name[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one
PubChem CID145176263
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one
SMILESC/C=C\c1ccccc1.CCCNC1CCC(=O)CC1
InChIInChI=1S/C9H17NO.C9H10/c1-2-7-10-8-3-5-9(11)6-4-8;1-2-6-9-7-4-3-5-8-9/h8,10H,2-7H2,1H3;2-8H,1H3/b;6-2-
InChIKeyRKBDVYMEQQZVBE-MKSBNHLASA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one?
The IUPAC name of [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one (CID 145176263) is [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one.
What is the SMILES notation for [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one?
The canonical SMILES for [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one is C/C=C\c1ccccc1.CCCNC1CCC(=O)CC1.
What is the InChIKey of [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one?
The InChIKey is RKBDVYMEQQZVBE-MKSBNHLASA-N. The full InChI is InChI=1S/C9H17NO.C9H10/c1-2-7-10-8-3-5-9(11)6-4-8;1-2-6-9-7-4-3-5-8-9/h8,10H,2-7H2,1H3;2-8H,1H3/b;6-2-.
What are the key properties of [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one?
[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one is sourced from PubChem (CID 145176263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).