N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol

C17H27NO3 — CID 169232118

IUPACN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol
SMILESO=CNC1CC1OCC1=CCCC=C1.OC1CCCCC1
InChIInChI=1S/C11H15NO2.C6H12O/c13-8-12-10-6-11(10)14-7-9-4-2-1-3-5-9;7-6-4-2-1-3-5-6/h2,4-5,8,10-11H,1,3,6-7H2,(H,12,13);6-7H,1-5H2
InChIKeyWVERTGPXNZUIOH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol

N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol (PubChem CID 169232118) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol.

Molecular Properties

Compound NameN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol
PubChem CID169232118
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol
SMILESO=CNC1CC1OCC1=CCCC=C1.OC1CCCCC1
InChIInChI=1S/C11H15NO2.C6H12O/c13-8-12-10-6-11(10)14-7-9-4-2-1-3-5-9;7-6-4-2-1-3-5-6/h2,4-5,8,10-11H,1,3,6-7H2,(H,12,13);6-7H,1-5H2
InChIKeyWVERTGPXNZUIOH-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexa-1,5-dien-1-ylmethoxy)cyclobutan-1-ol
CID 177027220
cyclohexa-1,5-dien-1-ylmethyl 2-formylpyrrolidine-1-carboxylate
CID 142850854
cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
CID 143473828
N-[(1R,2R)-2-hydroxycyclopropyl]formamide
CID 139383676
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
cyclohexa-1,5-dien-1-ylmethyl methanesulfonate
CID 163680872
N-[(1S,2S)-2-hydroxycyclopentyl]formamide
CID 57089664
(2S)-3-cyclohexa-1,5-dien-1-yl-2-methylpropanal
CID 144910636
cyclohexa-1,5-dien-1-ylmethyl (2S)-2-(methylamino)-4-oxopentanoate
CID 145192095
methyl 2-formamidocycloheptane-1-carboxylate
CID 87870017
cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate
CID 145375430
2-(2-bromoethoxymethyl)cyclohexa-1,3-diene
CID 144572735

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol?
The IUPAC name of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol (CID 169232118) is N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol.
What is the SMILES notation for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol?
The canonical SMILES for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol is O=CNC1CC1OCC1=CCCC=C1.OC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol?
The InChIKey is WVERTGPXNZUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C6H12O/c13-8-12-10-6-11(10)14-7-9-4-2-1-3-5-9;7-6-4-2-1-3-5-6/h2,4-5,8,10-11H,1,3,6-7H2,(H,12,13);6-7H,1-5H2.
What are the key properties of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol?
N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol has a molecular weight of 293.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclopropyl]formamide;cyclohexanol is sourced from PubChem (CID 169232118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).